N-(6-O-carbamoyl-beta-D-glucopyranosyl)-N-demethylansamitocin P
| Internal ID | 0a739270-0339-4ca9-9acc-f4f552bb98c1 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides |
| IUPAC Name | [(1S,2R,3S,5S,6S,16Z,18Z,20R,21S)-9-[(2R,3R,4S,5S,6R)-6-(carbamoyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,16-trimethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] propanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H50ClN3O15/c1-7-27(43)55-25-14-26(42)41(33-31(46)30(45)29(44)23(53-33)16-52-34(39)47)20-12-19(13-21(50-5)28(20)38)11-17(2)9-8-10-24(51-6)37(49)15-22(54-35(48)40-37)18(3)32-36(25,4)56-32/h8-10,12-13,18,22-25,29-33,44-46,49H,7,11,14-16H2,1-6H3,(H2,39,47)(H,40,48)/b10-8-,17-9-/t18-,22+,23-,24-,25+,29-,30+,31-,32+,33-,36+,37+/m1/s1 |
| InChI Key | YORHSEYBWHGBQM-KMKLMHINSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C37H50ClN3O15 |
| Molecular Weight | 812.30 g/mol |
| Exact Mass | 811.2930456 g/mol |
| Topological Polar Surface Area (TPSA) | 258.00 Ų |
| XlogP | -0.10 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.85% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.42% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.94% | 94.45% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 98.69% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.02% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.76% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.95% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.74% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.72% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.69% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.84% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.24% | 94.00% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 90.71% | 97.88% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.96% | 90.17% |
| CHEMBL1871 | P10275 | Androgen Receptor | 88.98% | 96.43% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.88% | 96.21% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.87% | 97.14% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.12% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.05% | 94.73% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.50% | 96.90% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.99% | 89.50% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.98% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.69% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.00% | 90.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.66% | 94.80% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.46% | 97.47% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.34% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.20% | 89.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 139584774 |
| LOTUS | LTS0124143 |
| wikiData | Q77375625 |